2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide

C17H14N2OS — CID 114768114

IUPAC2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2OS/c1-11-9-13(17(18)21)10-16(19-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H2,18,21)
InChIKeyCAPAOJSIXCNLKW-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.97
Rot. Bonds3

About 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide

2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide (PubChem CID 114768114) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
PubChem CID114768114
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(Oc2cccc3ccccc23)n1
InChIInChI=1S/C17H14N2OS/c1-11-9-13(17(18)21)10-16(19-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H2,18,21)
InChIKeyCAPAOJSIXCNLKW-UHFFFAOYSA-N
XLogP3.97
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[2-(3-Phenylphenoxy)-6-(trifluoromethyl)pyridin-4-yl]methanamine
CID 122516950
7-Dehydroxycassiarin A
CID 46227545
6-(2,3-Dimethylphenoxy)-2-methylpyridin-3-amine
CID 79021266
3-Ethoxy-1-phenylisoquinoline
CID 12856286
5-Methoxy-1,3-dimethylisoquinoline
CID 12542966
2-Phenoxy-6-phenylpyridine
CID 91311533
2-(2-Naphthyloxy)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 1477165
N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
CID 56658894
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
CID 56659375
N'-cyclobutyl-N-hydroxy-6-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
CID 56661837
N'-[2-(dimethylamino)ethyl]-N-hydroxy-6-methyl-2-naphthalen-1-yloxypyridine-3-carboximidamide
CID 56662393
N'-(2,2-dimethylpropyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56665674

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide (CID 114768114) is 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(Oc2cccc3ccccc23)n1.
What is the InChIKey of 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide?
The InChIKey is CAPAOJSIXCNLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-9-13(17(18)21)10-16(19-11)20-15-8-4-6-12-5-2-3-7-14(12)15/h2-10H,1H3,(H2,18,21).
What are the key properties of 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide?
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide has a molecular weight of 294.38 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide is sourced from PubChem (CID 114768114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).